Pressure-induced phase transitions in AgClO4

D. Errandonea, L. Gracia, A. Beltrán, A. Vegas, and Y. Meng
Phys. Rev. B 84, 064103 – Published 18 August 2011

Abstract

AgClO4 has been studied under compression by x-ray diffraction and density functional theory calculations. Experimental evidence of a structural phase transition from the tetragonal structure of AgClO4 to an orthorhombic barite-type structure has been found at 5.1 GPa. The transition is supported by total-energy calculations. In addition, a second transition to a monoclinic structure is theoretically proposed to take place beyond 17 GPa. The equation of state of the different phases is reported as well as the calculated Raman-active phonons and their pressure evolution. Finally, we provide a description of all the structures of AgClO4 and discuss their relationships. The structures are also compared with those of AgCl in order to explain the structural sequence determined for AgClO4.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
4 More
  • Received 19 May 2011

DOI:https://doi.org/10.1103/PhysRevB.84.064103

©2011 American Physical Society

Authors & Affiliations

D. Errandonea1, L. Gracia2, A. Beltrán2, A. Vegas3, and Y. Meng4

  • 1Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universitat de Valencia, Edificio de Investigación, c/ Dr. Moliner 50, 46100 Burjassot (Valencia), Spain
  • 2Departament de Química Física I Analítica, MALTA Consolider Team, Universitat Jaume I, Campus de Riu Sec, 12080 Castelló, Spain
  • 3Instituto de Química-Física Rocasolano, CSIC, c/ Serrano 119, 28006 Madrid, Spain
  • 4HPCAT, Carnegie Institution of Washington, Advanced Photon Source, Building 434E, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, USA

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 84, Iss. 6 — 1 August 2011

Reuse & Permissions
Access Options
CHORUS

Article Available via CHORUS

Download Accepted Manuscript
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×